CID 132372786

3,4-diamino-5-methoxybenzoic acid

Structural Information

Molecular Formula
C8H10N2O3
SMILES
COC1=CC(=CC(=C1N)N)C(=O)O
InChI
InChI=1S/C8H10N2O3/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3H,9-10H2,1H3,(H,11,12)
InChIKey
CBBTXJAFDBTOKD-UHFFFAOYSA-N
Compound name
3,4-diamino-5-methoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

182.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.07642 136.5
[M+Na]+ 205.05836 144.8
[M-H]- 181.06186 138.8
[M+NH4]+ 200.10296 155.1
[M+K]+ 221.03230 143.1
[M+H-H2O]+ 165.06640 130.7
[M+HCOO]- 227.06734 160.5
[M+CH3COO]- 241.08299 184.4
[M+Na-2H]- 203.04381 139.7
[M]+ 182.06859 134.7
[M]- 182.06969 134.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe